SCHEMBL29646316

SCHEMBL29646316

Cc1cccc(-c2nc3c4ccccc4nc(Cl)n3n2)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.61
TP53 P04637 1/20 0.61
THRB P10828 2/20 0.59
MAPT P10636 5/20 0.58
ADORA3 P0DMS8 5/20 0.57
ADORA1 P30542 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
NR1I3 Q14994 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22980034 1.00 RXFP1 (0.61) RXFP1TP53THRBMAPTADORA3
SCHEMBL29646467 0.87 ADORA3 (0.56) RXFP1TP53MAPTADORA3ADORA1
SCHEMBL22979446 0.87 ADORA3 (0.56) RXFP1TP53MAPTADORA3ADORA1
SCHEMBL22979023 0.86 ADORA3 (0.69) TP53THRBMAPTADORA3ADORA1
SCHEMBL29646414 0.86 ADORA3 (0.69) TP53THRBMAPTADORA3ADORA1
SCHEMBL29646504 0.85 ADORA3 (0.64) RXFP1TP53MAPTADORA3ADORA1
SCHEMBL22979475 0.85 ADORA3 (0.64) RXFP1TP53MAPTADORA3ADORA1
SCHEMBL22988116 0.85 ADORA3 (0.53) RXFP1TP53THRBMAPTADORA3
SCHEMBL22979532 0.85 ADORA3 (0.53) RXFP1TP53THRBMAPTADORA3
SCHEMBL29646353 0.85 ADORA3 (0.53) RXFP1TP53THRBMAPTADORA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114466850-B [1,2,4] Triazolo [1,5-C ] quinazolin-5-amine 拜耳股份有限公司 2024-09-10 CN disclosed
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN disclosed